2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine

C16H16N2O3 — CID 79997949

IUPAC2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine
SMILESCCOc1ccccc1OCc1nc2c(N)cccc2o1
InChIInChI=1S/C16H16N2O3/c1-2-19-12-7-3-4-8-13(12)20-10-15-18-16-11(17)6-5-9-14(16)21-15/h3-9H,2,10,17H2,1H3
InChIKeyQNMDBCOVJVSMTN-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.39
Rot. Bonds5

About 2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine

2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine (PubChem CID 79997949) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine
PubChem CID79997949
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine
SMILESCCOc1ccccc1OCc1nc2c(N)cccc2o1
InChIInChI=1S/C16H16N2O3/c1-2-19-12-7-3-4-8-13(12)20-10-15-18-16-11(17)6-5-9-14(16)21-15/h3-9H,2,10,17H2,1H3
InChIKeyQNMDBCOVJVSMTN-UHFFFAOYSA-N
XLogP3.39
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79998854
2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol
CID 107712120
2-[(4-methylsulfanylphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79999898
2-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-4-amine
CID 82346438
2-[(3-chlorophenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79998838
2-[(4-bromophenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79022080
2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine
CID 79998169
2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine
CID 112587266
2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine
CID 79999709
2-(2,2-difluoroethoxymethyl)-1,3-benzoxazol-4-amine
CID 82004432
2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79994766
methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate
CID 131332888

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine (CID 79997949) is 2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine is CCOc1ccccc1OCc1nc2c(N)cccc2o1.
What is the InChIKey of 2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine?
The InChIKey is QNMDBCOVJVSMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-19-12-7-3-4-8-13(12)20-10-15-18-16-11(17)6-5-9-14(16)21-15/h3-9H,2,10,17H2,1H3.
What are the key properties of 2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine?
2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine has a molecular weight of 284.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79997949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).